Input 30-stress.02-gamma_point.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_debug_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Pressure (H/b^3) | 5.662478890000000e-04 | 5.662478850000000e-04 | 2.830000000000000e-11 | 3.999999984016789e-12 | PASS |
| Pressure (GPa) | 1.665959412000000e+01 | 1.665959420000000e+01 | 8.330000000000000e-07 | -7.999999951380232e-08 | PASS |
| Kinetic stress (11) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (12) | -4.870100634000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577217393993660e-15 | PASS |
| Kinetic stress (13) | -6.996176269000000e-16 | -8.541147970000002e-16 | 5.350000000000000e-15 | 1.544971701000001e-16 | PASS |
| Kinetic stress (21) | -4.870100634000000e-20 | -1.577266095000000e-15 | 1.740000000000000e-15 | 1.577217393993660e-15 | PASS |
| Kinetic stress (22) | 9.361438596000001e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | 0.000000000000000e+00 | PASS |
| Kinetic stress (23) | -6.441889773000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -5.949850583500000e-15 | PASS |
| Kinetic stress (31) | -6.996176269000000e-16 | -8.541147970000002e-16 | 5.350000000000000e-15 | 1.544971701000001e-16 | PASS |
| Kinetic stress (32) | -6.441889773000000e-15 | -4.920391895000000e-16 | 6.550000000000000e-15 | -5.949850583500000e-15 | PASS |
| Kinetic stress (33) | 9.361438595000000e-03 | 9.361438596000001e-03 | 4.680000000000000e-11 | -1.000000429685066e-12 | PASS |
| Hartree stress (11) | 8.859962921000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -3.000000421693461e-13 | PASS |
| Hartree stress (12) | 4.279392150000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.279392150000000e-20 | PASS |
| Hartree stress (13) | -2.816116124000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.816116124000000e-20 | PASS |
| Hartree stress (21) | 4.279392150000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 4.279392150000000e-20 | PASS |
| Hartree stress (22) | 8.859962921000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -3.000000421693461e-13 | PASS |
| Hartree stress (23) | -1.104359264000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.104359264000000e-21 | PASS |
| Hartree stress (31) | -2.816116124000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -2.816116124000000e-20 | PASS |
| Hartree stress (32) | -1.104359264000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -1.104359264000000e-21 | PASS |
| Hartree stress (33) | 8.859962921000000e-04 | 8.859962924000001e-04 | 4.430000000000000e-12 | -3.000000421693461e-13 | PASS |
| XC stress (11) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (12) | 2.190088388000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.190088388000000e-20 | PASS |
| XC stress (13) | 3.230922474000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.230922474000000e-20 | PASS |
| XC stress (21) | 2.190088388000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.190088388000000e-20 | PASS |
| XC stress (22) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| XC stress (23) | -5.529431080000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.529431080000000e-20 | PASS |
| XC stress (31) | 3.230922474000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | 3.230922474000000e-20 | PASS |
| XC stress (32) | -5.529431080000000e-20 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.529431080000000e-20 | PASS |
| XC stress (33) | -3.734425480000000e-03 | -3.734425480000000e-03 | 1.870000000000000e-10 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (11) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (12) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (13) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (21) | -5.494876839000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | -5.494876839000000e-19 | PASS |
| Ion-ion stress (22) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Ion-ion stress (23) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (31) | 1.030767272000000e-19 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.030767272000000e-19 | PASS |
| Ion-ion stress (32) | -7.770561860000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-15 | -7.770561860000000e-21 | PASS |
| Ion-ion stress (33) | -1.149183583000000e-02 | -1.149183583000000e-02 | 5.750000000000000e-11 | 0.000000000000000e+00 | PASS |
| Stress (11) | -5.662478887000000e-04 | -5.662478856000000e-04 | 8.850000000000000e-12 | -3.099999965928968e-12 | PASS |
| Stress (12) | 1.590947913000000e-19 | 9.677328992000001e-16 | 1.060000000000000e-15 | -9.675738044087000e-16 | PASS |
| Stress (13) | 1.388426515000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -3.137587730000000e-16 | PASS |
| Stress (21) | 1.590947913000000e-19 | 9.677329061999999e-16 | 1.060000000000000e-15 | -9.675738114086998e-16 | PASS |
| Stress (22) | -5.662478886000000e-04 | -5.662478852000001e-04 | 8.640000000000000e-12 | -3.399999899678097e-12 | PASS |
| Stress (23) | 1.269194046000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | 1.151794200500000e-14 | PASS |
| Stress (31) | 1.388426515000000e-15 | 1.702185288000000e-15 | 1.030000000000000e-14 | -3.137587730000000e-16 | PASS |
| Stress (32) | 1.269194046000000e-14 | 1.173998455000000e-15 | 1.270000000000000e-14 | 1.151794200500000e-14 | PASS |
| Stress (33) | -5.662478882000000e-04 | -5.662478851000000e-04 | 8.800000000000000e-12 | -3.099999965928968e-12 | PASS |